[Wien] bug in join_vectorfiles

[Peter Blaha]

No problem for runsp/min calculations.

join_vectorfiles is a utility which combines vectorfiles from a k-point parallel
calculation to a "non-parallel" single case.vector file.

Am 20.09.2011 05:12, schrieb Maxim Rakitin:
> Dear Prof. Blaha,
> What areas can whis bug affect on previous builds? Will it cause any problems with usual runsp/min_lapw calculations?
> Thanks.
> Best regards, Maxim Rakitin Email: rms85 at physics.susu.ac.ru Web: http://www.susu.ac.ru
>
> 19.09.2011 17:37, Peter Blaha пишет:> Thank's.>> I can confirm the problems and solution your email.> It will be fixed in the next release.>> Am 19.09.2011 13:34, schrieb
> katrusiat:>> Hi,>>>> I've found a bug in join_vectorfiles (folder SRC_trig). To remove it, >> do the following replacements:>>>> 1) file util.f, line 46>>>>
> read(unit,"(A16,I2)")dummy,mult ==> read(unit,"(A15,I2)")dummy,mult>>>> 2) file util.f, line ~ 102>>>> read(unit_struct,"(A16,I2)")dummy,mult ==> >>
> read(unit_struct,"(A15,I2)")dummy,mult>>>> Bests, Kateryna Foyevtsova>> _______________________________________________>> Wien mailing list>>
> Wien at zeus.theochem.tuwien.ac.at>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>_______________________________________________Wien mailing
> listWien at zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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